Calcium in PDB 4fkb: An Organic Solvent Tolerant Lipase 42

All present enzymatic activity of An Organic Solvent Tolerant Lipase 42:
3.1.1.3;

The structure of An Organic Solvent Tolerant Lipase 42, PDB code: 4fkb was solved by R.N.Zaliha, R.A.Rahman, M.S.Khusaini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.824, 81.001, 99.529, 90.00, 96.69, 90.00
R / Rfree (%)	12.7 / 16.5

The structure of An Organic Solvent Tolerant Lipase 42 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Chlorine	(Cl)	10 atoms
Sodium	(Na)	9 atoms

The binding sites of Calcium atom in the An Organic Solvent Tolerant Lipase 42 (pdb code 4fkb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the An Organic Solvent Tolerant Lipase 42, PDB code: 4fkb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca420 b:8.9 occ:0.50 O A:HOH666 2.3 27.5 1.0 O A:PRO366 2.3 11.4 1.0 O A:GLY286 2.3 10.9 1.0 OE2 A:GLU360 2.4 9.5 1.0 OD2 A:ASP365 2.4 13.7 1.0 O A:HOH747 2.8 33.6 1.0 CD A:GLU360 3.4 9.2 1.0 O A:HOH869 3.5 33.8 1.0 C A:GLY286 3.5 9.1 1.0 CG A:ASP365 3.6 11.0 1.0 C A:PRO366 3.6 10.9 1.0 CG A:GLU360 3.6 9.1 1.0 NH2 A:ARG271 4.2 10.6 1.0 CA A:GLY286 4.2 12.7 1.0 N A:PRO366 4.3 10.7 1.0 CB A:ASP365 4.4 10.9 1.0 N A:ASN288 4.4 8.5 1.0 CB A:ASN367 4.4 12.0 1.0 C A:MET287 4.4 8.6 1.0 O A:HOH740 4.4 40.6 1.0 OD1 A:ASP365 4.5 13.5 1.0 N A:ASN367 4.5 10.8 1.0 CA A:ASN367 4.5 11.2 1.0 OE1 A:GLU360 4.5 8.8 1.0 N A:MET287 4.5 9.2 1.0 C A:ASP365 4.5 9.6 1.0 CA A:PRO366 4.5 12.7 1.0 O A:HOH603 4.5 35.2 1.0 CG A:PRO366 4.6 14.9 1.0 CA A:MET287 4.6 8.3 1.0 CD A:PRO366 4.7 11.3 1.0 O A:ASP365 4.9 9.4 1.0 O A:MET287 4.9 9.6 1.0 CA A:ASN288 4.9 9.1 1.0 CB A:PRO366 5.0 14.4 1.0

Calcium binding site 2 out of 2 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca424 b:7.2 occ:0.50 OE2 B:GLU360 2.3 8.2 1.0 O B:GLY286 2.3 10.4 1.0 O B:HOH660 2.3 31.7 1.0 O B:PRO366 2.3 8.2 1.0 OD2 B:ASP365 2.4 11.6 1.0 O B:HOH691 2.7 33.8 1.0 CD B:GLU360 3.3 7.3 1.0 C B:GLY286 3.5 9.2 1.0 O B:HOH729 3.6 36.1 1.0 CG B:ASP365 3.6 8.2 1.0 CG B:GLU360 3.6 7.4 1.0 C B:PRO366 3.6 6.6 1.0 NH2 B:ARG271 4.2 9.5 1.0 CA B:GLY286 4.2 10.3 1.0 CB B:ASN367 4.3 8.1 1.0 N B:ASN288 4.3 8.7 1.0 N B:PRO366 4.3 6.0 1.0 C B:MET287 4.3 8.2 1.0 CB B:ASP365 4.4 7.7 1.0 OD1 B:ASP365 4.5 12.5 1.0 N B:ASN367 4.5 7.8 1.0 OE1 B:GLU360 4.5 6.9 1.0 N B:MET287 4.5 8.3 1.0 O B:HOH796 4.5 34.0 1.0 CA B:PRO366 4.5 8.1 1.0 CA B:ASN367 4.5 8.4 1.0 C B:ASP365 4.6 6.3 1.0 CA B:MET287 4.6 8.1 1.0 CG B:PRO366 4.7 12.4 1.0 CD B:PRO366 4.7 7.8 1.0 OD2 B:ASP357 4.8 16.5 1.0 O B:HOH715 4.8 27.6 1.0 O B:MET287 4.8 9.3 1.0 CA B:ASN288 4.9 6.6 1.0 O B:ASP365 4.9 7.1 1.0 O B:HOH592 5.0 28.1 1.0

R.N.Zaliha, R.N.Rahman, M.S.Khusaini. An Organic Solvent Tolerant Lipase 42 To Be Published.